CAS: 91419-48-6; Tert-Butyl 4-Carbamoylpiperidine-1-Carboxylate

• 英文名称Tert-Butyl 4-Carbamoylpiperidine-1-Carboxylate
• 中文名称1-Boc-4-哌啶甲酰胺
• IUPAC名称tert-butyl 4-carbamoylpiperidine-1-carboxylate
• 其它别名N-Boc-哌啶-4-甲酰胺; Tert-Butyl 4-Carbamoyl-1-Piperidinecarboxylate
• CAS编号91419-48-6
• MFCD编号:MFCD02180953
• EINECS号:694-904-8
• 分子式:C11H20N2O3
• 分子量:228.29
• 产品CID: 1949890
• 产品分类有机原料→分子砌块→脂肪杂环类化合物→哌啶类化合物

• 相似结构搜索
• InChIKey: YHFUWPUJUMZXBD-UHFFFAOYSA-N
• InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-6-4-8(5-7-13)9(12)14/h8H,4-7H2,1-3H3,(H2,12,14)…
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数1.0

相似化合物

物理性质

• 熔点158-160°C
• 沸点384.4°C at 760 mmHg
• 闪点186.3±24.8 °C
• 密度1.1±0.1 g/cm3
• pKa:16.40±0.20(预测)
• PSA:72.63
• LogP:1.1188
• 折射率1.498
• 蒸汽压0.0±0.9 mmHg at 25°C
• 外观形态白色至几乎白色粉末至晶体
• 储存条件置于阴暗处,密封, 常温干燥保存
• 产品应用该化合物用作有机合成的中间体;在酸性条件下可以清除BOC组,以揭示管状体结构;在某种反应条件下,环上的碳BOXAMID MODIE可以转换成硝基体组;碳BOKAMIDE的氧原子可以用使用LALESSON的试剂的硫磺取代.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
• 警示词Warning(警告)
• 危险描述H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险品标志Xi
• 风险等级Irritant
• 安全声明S24/25

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 Tert-Butyl 4-(Aminocarbonyl)Tetrahydropyridine-1(2H)-Carboxylate 主要起始原料 Isonipecotamide And Di-Tert-Butyl Dicarbonate
• 124443-68-1 = 91419-48-6
  反应条件:1.1 Reagents: Ammonium Hydroxide Solvents: Water; 16 H,Rt
  标题:Synthesis Of Nitriles From Aldoximes And Primary Amides Using Xtalfluor-E
  作者:Keita,Massaba; Et Al
  参考文献:Synthesis 日期:2015 卷标:47(23) 页码:3758-3766]
  
  190446-85-6 = 91419-48-6
  反应条件:1.1 Catalysts: (Sp-4-2)-(1,2-Ethanediamine-Kn1,Kn2)Bis(Nitrato-Ko)Palladium Solvents: Methanol; 16 H,60 °C
  标题:Conversion Of Aldoximes Into Nitriles And Amides Under Mild Conditions
  作者:Tambara,Koujiro; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2013 卷标:11(15) 页码:2466-2472]
  
  137076-22-3 = 91419-48-6
  反应条件:1.1 Reagents: Sodium Carbonate,Hydroxyamine Hydrochloride,Sulfuric Acid Magnesium Salt (1:1) Solvents: Methanol; 2 H,Rt2.1 Catalysts: (Sp-4-2)-(1,2-Ethanediamine-Kn1,Kn2)Bis(Nitrato-Ko)Palladium Solvents: Methanol; 16 H,60 °C
  标题:Conversion Of Aldoximes Into Nitriles And Amides Under Mild Conditions
  作者:Tambara,Koujiro; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2013 卷标:11(15) 页码:2466-2472]
  
  24424-99-5 + 1126-09-6 = 91419-48-6
  反应条件:1.1 Reagents: Triethylamine2.1 Reagents: Sodium Hydroxide Solvents: Water3.1 Reagents: 4-Methylmorpholine,Isobutyl Chloroformate,Ammonia
  标题:Novel Potent Antagonists Of Human Neuropeptide Y Y5 Receptors. Part 2: Substituted Benzo[a]Cycloheptene Derivatives
  作者:Itani,Hiromichi; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2002 卷标:12(5) 页码:757-761]
  
  84358-13-4 = 91419-48-6
  反应条件:1.1 Reagents: Triethylamine,Ammonium Carbonate,O-(Benzotriazol-1-Yl)-N,N,N′,N′-Tetramethyluronium Tetrafluoroborate Solvents: Acetonitrile; 8 H,Rt
  标题:General Ser/thr Kinases Pharmacophore Approach For Selective Kinase Inhibitors Search As Exemplified By Design Of Potent And Selective Aurora A Inhibitors
  作者:Vasilevich,Natalya I.; Et Al
  参考文献:Chemical Biology & Drug Design 日期:2016 卷标:88(1) 页码:54-65]
  
  124443-68-1 = 91419-48-6
  反应条件:1.1 Reagents: Formamide,Sodium Methoxide Solvents: Methanol,Tetrahydrofuran; 5 Min,Rt1.2 Solvents: Tetrahydrofuran; 24 H,Rt
  标题:Hofmann Rearrangement Of Carboxamides Mediated By N-Bromoacetamide
  作者:Jevtic,Ivana I.; Et Al
  参考文献:Synthesis 日期:2016 卷标:48(10) 页码:1550-1560]
  
  = 91419-48-6 [标题:Reaction Conditions
  标题:Tetrazole Analogs Of Gaba-Mimetic Agents
  作者:Schlewer,Gilbert; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:1984 卷标:19(2) 页码:181-6]
  
  142851-03-4 = 91419-48-6
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water2.1 Reagents: 4-Methylmorpholine,Isobutyl Chloroformate,Ammonia
  标题:Novel Potent Antagonists Of Human Neuropeptide Y Y5 Receptors. Part 2: Substituted Benzo[a]Cycloheptene Derivatives
  作者:Itani,Hiromichi; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2002 卷标:12(5) 页码:757-761]
  
  24424-99-5 = 91419-48-6
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: 1,4-Dioxane,Water; 0 °C -> Rt; 3 H,Rt; Rt -> 0 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 3 - 4,0 °C2.1 Reagents: Triethylamine,Ammonium Chloride,1-Ethyl-3-(3′-Dimethylaminopropyl)Carbodiimide Hydrochloride Solvents: Dimethylformamide; 6 H,Rt
  标题:Trisubstituted Thieno[3,2-B]Pyrrole 5-Carboxamides As Potent Inhibitors Of Alphaviruses
  作者:Ching,Kuan-Chieh; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2015 卷标:58(23) 页码:9196-9213

海关参考信息

• 2905122000-异丙醇
  2905143000-叔丁醇
  2912110000-甲醛
  2912120000-乙醛
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

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